2-[(2S)-4-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butan-2-yl]-2,5,5-trimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(2S)-4-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butan-2-yl]-2,5,5-trimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(1S)-3-(3,5-dimethylpyrazol-1-yl)-1-methyl-3-oxo-propyl]-2,5,5-trimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2S)-4-(3,5-dimethyl-1-pyrazolyl)-4-oxobutan-2-yl]-2,5,5-trimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2S)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutan-2-yl]-2,5,5-trimethylcyclohexane-1,3-dione Traditional Name: 2-[(1S)-3-(3,5-dimethylpyrazol-1-yl)-3-keto-1-methyl-propyl]-2,5,5-trimethyl-cyclohexane-1,3-quinone Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CC(C)C2(C(=O)CC(CC2=O)(C)C)C)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C[C@H](C)C2(C(=O)CC(CC2=O)(C)C)C)C

InChI

InChI=1S/C18H26N2O3/c1-11(7-16(23)20-13(3)8-12(2)19-20)18(6)14(21)9-17(4,5)10-15(18)22/h8,11H,7,9-10H2,1-6H3/t11-/m0/s1